[(Z)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] bis(2,2,3,3-tetrafluoropropyl) phosphate
Formula:C14H10O4Cl3F8P
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] bis(2,2,3,3-tetrafluoropropyl) phosphate is not a drug-like molecule.
| MolName | [(Z)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] bis(2,2,3,3-tetrafluoropropyl) phosphate |
| MolecularFormula | C14H10O4Cl3F8P |
| Smiles | O=P(OCC(C(F)F)(F)F)(OCC(C(F)F)(F)F)O/C(/c(cc1)cc(Cl)c1Cl)=C\Cl |
| InChI | InChI=1S/C14H10Cl3F8O4P/c15-4-10(7-1-2-8(16)9(17)3-7)29-30(26,27-5-13(22,23)11(18)19)28-6-14(24,25)12(20)21/h1-4,11-12H,5-6H2 |
| InChIK | OTYOJSOJMPKSTA-UHFFFAOYSA-N |
| TotalMolweight | 531.546 |
| Molweight | 531.546 |
| MonoisotopicMass | 529.925452 |
| CLogP | 4.3945 |
| CLogS | -6.342 |
| H Acceptors | 4 |
| TotalSurfaceArea | 322.14 |
| Relative PSA | 0.14596 |
| PolarSurfaceArea | 54.57 |
| Druglikeness | -27.96 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| Rotatable Bond | 11 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - [(Z)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] bis(2,2,3,3-tetrafluoropropyl) phosphate | 2 - [(Z)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] bis(2,2,3,3-tetrafluoropropyl) phosphate
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